Module net_ensembles::sampling

source · [−]
Expand description

For sampling ensembles

  • contains Simple sampling, WangLandau, entropic sampling, Metropolis, Histograms
  • This is just for compatibility reasons, everything was moved into its own crate, which you can find at crates.io/crates/sampling

Modules

bootstrap
Bootstrap resampling functions
entropic_sampling
For using entropic sampling after a wang landau simulation
examples
Contains examples
glue
Glue together overlapping intervals of either entropic sampling or wang landau
heatmap
Generate heatmaps. Create Gnuplot scripts to plot said heatmaps
histogram
Traits for implementing histograms for Wang Landau or entropic sampling. Contains histogram implementations for all primitive numbers
metropolis
For making a Metropolis simulation
rees
Entropic sampling using a replica exchange approach
rewl
Replica exchange wang-landau
traits
Contains traits useful for sampling an ensemble like MarkovChain or Metropolis etc.
wang_landau
Wang Landau Implementation

Structs

AtomicHistogramFloat
Generic Histogram struct
AtomicHistogramInt
Generic Histogram for integer types
ColorRGB
RGB value
CubeHelixParameter
Implements color palett from https://arxiv.org/abs/1108.5083
EntropicSampling
Entropic sampling made easy
EntropicSamplingAdaptive
Entropic sampling made easy
GlueResult
Glued together probability
GnuplotPointSettings
Defines gnuplot point
GnuplotSettings
Settings for gnuplot
HeatmapF64
Heatmap
HeatmapF64Mean
Heatmap with mean of y-axis
HeatmapUsize
Heatmap
HeatmapUsizeMean
Heatmap with mean of y-axis
HistogramFast
Faster version of HistogramInt for Integers
HistogramFloat
Generic Histogram struct
HistogramInt
Generic Histogram for integer types
Metropolis
Create a metropolis simulation
PaletteRGB
A color palette in RGB space
ReesWalker
Walker for Replica exchange entropic sampling
ReplicaExchangeEntropicSampling
Struct used for entropic sampling with replica exchanges
ReplicaExchangeWangLandau
Efficient replica exchange Wang landau
ReplicaExchangeWangLandauBuilder
Use this to create a replica exchange wang landau simulation
ReplicaGlued
Result of the gluing
RewlWalker
Walker for Replica exchange Wang Landau
WangLandau1T
The 1/t Wang Landau approach comes from this paper
WangLandauAdaptive
Adaptive WangLandau 1/t

Enums

EntropicErrors
Error states, that entropic sampling, or the creation of EntropicSamplingAdaptive could encounter
ExtremeInterval
Enum used internally
GlueErrors
Possible errors that can occur during gluing together WangLandau intervals or Entropic Sampling intervals
GnuplotAxis
For labeling the gnuplot plots axis
GnuplotPalette
defines presets for different color palettes
GnuplotTerminal
Options for choosing gnuplot Terminal
HeatmapError
Errors of Heatmap
HistErrors
Possible Errors of the traits Histogram and HistogramVal
LogBase
Which LogBase is being used/should be used?
MetropolisError
Errors encountered during Metropolis Algorithm
RewlBuilderErr
Errors
RewlCreationErrors
Errors encountered during the creation of a Rewl struct (Replica exchange Wang Landau)
SetInitialError
Possible errors when setting initial guess
ThresholdErrors
WangLandauErrors
List of possible errors
WangLandauMode
Look at the paper

Traits

AtomicHistogram
Implements histogram
AtomicHistogramVal
  • trait used for mapping values of arbitrary type T to bins
  • used to create a histogram
    • Entropic
    Traits for quantities that all Entropic simulations have
    EntropicEEH
    Helper trait, so that you have to type less
    EntropicEnergy
    trait to request the current energy from a Entropic simulation
    EntropicEnsemble
    trait to request a reference to the current (state of the) ensemble
    EntropicHist
    trait to request the current histogram from a Entropic simulation
    HasRng
    Access internal random number generator
    HasUnsignedVersion
    Helper trait for efficient calculations in other implementations
    Histogram
    Implements histogram
    HistogramCombine
    Used to get a histogram, which contains the smaller histograms
    HistogramIntervalDistance
    Distance metric for how far a value is from a valid interval
    HistogramPartition
    Your Interval is to large to sample in a resonable amound of time? No problem
    HistogramVal
  • trait used for mapping values of arbitrary type T to bins
  • used to create a histogram
    • IntervalOrder
    Trait for comparing two intervals
    MarkovChain
    Create a markov chain by doing markov steps
    SimpleSample
    For easy sampling of your ensemble
    WangLandau
    Traits for quantities that all Wang Landau simulations have
    WangLandauEEH
    Helper trait, so that you have to type less
    WangLandauEnergy
    trait to request the current energy from a WangLandau simulation
    WangLandauEnsemble
    trait to request a reference to the current (state of the) ensemble
    WangLandauHist
    trait to request the current histogram from a WangLandau simulation

    Functions

    average_merged_and_aligned
    Calculate the probability density function from overlapping intervals
    bootstrap
    returns reduced value + estimated error (as sqrt of variance). Note, that you can use bootstrap_copyable if your N1 implements Copy
    bootstrap_copyable
    Similar to bootstrap but for stuff that implements Copy. Likely more effient in these cases returns reduced value + estimated error (as sqrt of variance)
    derivative_glue_and_align
    Results of the simulation
    derivative_glue_and_align_ignore
    TODO Documentation
    derivative_merged_and_aligned
    Calculate the probability density function from overlapping intervals
    glue_entropic
    Combine multiple WangLandau intervals to get the probability distribution of the whole interval
    glue_wl
    Combine multiple WangLandau intervals to get the probability distribution of the whole interval
    heatmap_index
    Get index of heatmap corresponding to a coordinate
    log_probability_and_align
    Results of the simulation
    log_probability_and_align_ignore
    Results of the simulation
    merged_log_prob_ignore
    Merge probability density of multiple rees simulations
    norm_log10_sum_to_1
    Normalize log10 probability density

    Type Definitions

    AtomicHistF32
    Histogram for binning f32 - alias for HistogramFloat<f32>
    AtomicHistF64
    Histogram for binning f64 - alias for HistogramFloat<f64>
    AtomicHistI8
    Histogram for binning i8 - alias for AtomicHistogramIntiu8>
    AtomicHistI16
    Histogram for binning i16 - alias for AtomicHistogramInt<i16>
    AtomicHistI32
    Histogram for binning i32 - alias for AtomicHistogramInt<i32>
    AtomicHistI64
    Histogram for binning i64 - alias for AtomicHistogramInt<i64>
    AtomicHistI128
    Histogram for binning i128 - alias for AtomicHistogramInt<i128>
    AtomicHistIsize
    Histogram for binning isize - alias for AtomicHistogramInt<isize>
    AtomicHistU8
    Histogram for binning u8 - alias for AtomicHistogramInt<u8>
    AtomicHistU16
    Histogram for binning u16 - alias for AtomicHistogramInt<u16>
    AtomicHistU32
    Histogram for binning u32 - alias for AtomicHistogramInt<u32>
    AtomicHistU64
    Histogram for binning u64 - alias for AtomicHistogramInt<u64>
    AtomicHistU128
    Histogram for binning u128 - alias for AtomicHistogramInt<u128>
    AtomicHistUsize
    Histogram for binning usize - alias for AtomicHistogramInt<usize>
    Glued
    Result of glueing
    GluedResult
    Result of glueing. See Glued
    HeatmapU
    Shorthand for HeatmapUsize
    HistF32
    Histogram for binning f32 - alias for HistogramFloat<f32>
    HistF64
    Histogram for binning f64 - alias for HistogramFloat<f64>
    HistI8
    Histogram for binning i8 - alias for HistogramIntiu8>
    HistI8Fast
    Histogram for binning i8 - alias for HistogramFastiu8>
    HistI16
    Histogram for binning i16 - alias for HistogramInt<i16>
    HistI16Fast
    Histogram for binning i16 - alias for HistogramFast<i16>
    HistI32
    Histogram for binning i32 - alias for HistogramInt<i32>
    HistI32Fast
    Histogram for binning i32 - alias for HistogramFast<i32>
    HistI64
    Histogram for binning i64 - alias for HistogramInt<i64>
    HistI64Fast
    Histogram for binning i64 - alias for HistogramFast<i64>
    HistI128
    Histogram for binning i128 - alias for HistogramInt<i128>
    HistI128Fast
    Histogram for binning i128 - alias for HistogramFast<i128>
    HistIsize
    Histogram for binning isize - alias for HistogramInt<isize>
    HistIsizeFast
    Histogram for binning isize - alias for HistogramFast<isize>
    HistU8
    Histogram for binning u8 - alias for HistogramInt<u8>
    HistU8Fast
    Histogram for binning u8 - alias for HistogramFast<u8>
    HistU16
    Histogram for binning u16 - alias for HistogramInt<u16>
    HistU16Fast
    Histogram for binning u16 - alias for HistogramFast<u16>
    HistU32
    Histogram for binning u32 - alias for HistogramInt<u32>
    HistU32Fast
    Histogram for binning u32 - alias for HistogramFast<u32>
    HistU64
    Histogram for binning u64 - alias for HistogramInt<u64>
    HistU64Fast
    Histogram for binning u64 - alias for HistogramFast<u64>
    HistU128
    Histogram for binning u128 - alias for HistogramInt<u128>
    HistU128Fast
    Histogram for binning u128 - alias for HistogramFast<u128>
    HistUsize
    Histogram for binning usize - alias for HistogramInt<usize>
    HistUsizeFast
    Histogram for binning usize- alias for HistogramFast<usize>
    MetF32
    short for Metropolis<E, R, S, Res, f32>
    MetF64
    short for Metropolis<E, R, S, Res, f64>
    MetI8
    short for Metropolis<E, R, S, Res, i8>
    MetI16
    short for Metropolis<E, R, S, Res, i16>
    MetI32
    short for Metropolis<E, R, S, Res, i32>
    MetI64
    short for Metropolis<E, R, S, Res, i64>
    MetI128
    short for Metropolis<E, R, S, Res, i128>
    MetIsize
    short for Metropolis<E, R, S, Res, isize>
    MetU8
    short for Metropolis<E, R, S, Res, u8>
    MetU16
    short for Metropolis<E, R, S, Res, u16>
    MetU32
    short for Metropolis<E, R, S, Res, u32>
    MetU64
    short for Metropolis<E, R, S, Res, u64>
    MetU128
    short for Metropolis<E, R, S, Res, u128>
    MetUsize
    short for Metropolis<E, R, S, Res, usize>
    Rees
    Short for ReplicaExchangeEntropicSampling
    Rewl
    Short for ReplicaExchangeWangLandau, which you can look at for citations
    RewlBuilder
    Short for ReplicaExchangeWangLandauBuilder